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Grant D. Smith - Publications

Affiliations: 
Materials Science Department University of Utah, Salt Lake City, UT 
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40 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Li Z, Borodin O, Smith GD, Bedrov D. Effect of organic solvents on Li+ ion solvation and transport in ionic liquid electrolytes: a molecular dynamics simulation study. The Journal of Physical Chemistry. B. 119: 3085-96. PMID 25592777 DOI: 10.1021/jp510644k  0.657
2014 Geiculescu OE, Hallac BB, Rajagopal RV, Creager SE, DesMarteau DD, Borodin O, Smith GD. The effect of low-molecular-weight poly(ethylene glycol) (PEG) plasticizers on the transport properties of lithium fluorosulfonimide ionic melt electrolytes. The Journal of Physical Chemistry. B. 118: 5135-43. PMID 24773589 DOI: 10.1021/Jp500826C  0.641
2013 Hooper JB, Smith GD, Bedrov D. Thermophysical properties of energetic ionic liquids/nitric acid mixtures: insights from molecular dynamics simulations. The Journal of Chemical Physics. 139: 104503. PMID 24050355 DOI: 10.1063/1.4819903  0.335
2012 Li Z, Smith GD, Bedrov D. Li+ solvation and transport properties in ionic liquid/lithium salt mixtures: a molecular dynamics simulation study. The Journal of Physical Chemistry. B. 116: 12801-9. PMID 22978679 DOI: 10.1021/jp3052246  0.373
2012 Hooper JB, Starovoytov ON, Borodin O, Bedrov D, Smith GD. Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids. The Journal of Chemical Physics. 136: 194506. PMID 22612102 DOI: 10.1063/1.4718800  0.742
2011 Starovoytov ON, Borodin O, Bedrov D, Smith GD. Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution. Journal of Chemical Theory and Computation. 7: 1902-15. PMID 26596451 DOI: 10.1021/Ct200064U  0.739
2011 Xing L, Borodin O, Smith GD, Li W. Density functional theory study of the role of anions on the oxidative decomposition reaction of propylene carbonate. The Journal of Physical Chemistry. A. 115: 13896-905. PMID 22004044 DOI: 10.1021/jp206153n  0.58
2011 Vatamanu J, Borodin O, Smith GD. Molecular simulations of the electric double layer structure, differential capacitance, and charging kinetics for N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide at graphite electrodes. The Journal of Physical Chemistry. B. 115: 3073-84. PMID 21384838 DOI: 10.1021/jp2001207  0.614
2010 Vatamanu J, Borodin O, Smith GD. Molecular insights into the potential and temperature dependences of the differential capacitance of a room-temperature ionic liquid at graphite electrodes. Journal of the American Chemical Society. 132: 14825-33. PMID 20925318 DOI: 10.1021/ja104273r  0.578
2010 Smith GD, Borodin O, Magda JJ, Boyd RH, Wang Y, Bara JE, Miller S, Gin DL, Noble RD. A comparison of fluoroalkyl-derivatized imidazolium:TFSI and alkyl-derivatized imidazolium:TFSI ionic liquids: a molecular dynamics simulation study. Physical Chemistry Chemical Physics : Pccp. 12: 7064-76. PMID 20485804 DOI: 10.1039/C001387K  0.79
2010 Borodin O, Gorecki W, Smith GD, Armand M. Molecular dynamics simulation and pulsed-field gradient NMR studies of bis(fluorosulfonyl)imide (FSI) and bis[(trifluoromethyl)sulfonyl]imide (TFSI)-based ionic liquids. The Journal of Physical Chemistry. B. 114: 6786-98. PMID 20433203 DOI: 10.1021/Jp911950Q  0.677
2010 Bedrov D, Borodin O, Li Z, Smith GD. Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations. The Journal of Physical Chemistry. B. 114: 4984-97. PMID 20337454 DOI: 10.1021/jp911670f  0.667
2010 Vatamanu J, Borodin O, Smith GD. Molecular dynamics simulations of atomically flat and nanoporous electrodes with a molten salt electrolyte. Physical Chemistry Chemical Physics : Pccp. 12: 170-82. PMID 20024457 DOI: 10.1039/b917592j  0.639
2009 Bedrov D, Borodin O, Smith GD, Sewell TD, Dattelbaum DM, Stevens LL. A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature. The Journal of Chemical Physics. 131: 224703. PMID 20001072 DOI: 10.1063/1.3264972  0.601
2009 Smith GD, Borodin O, Russo SP, Rees RJ, Hollenkamp AF. A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes. Physical Chemistry Chemical Physics : Pccp. 11: 9884-97. PMID 19851568 DOI: 10.1039/b912820d  0.658
2009 Hooper JB, Bedrov D, Smith GD, Hanson B, Borodin O, Dattelbaum DM, Kober EM. A molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure. The Journal of Chemical Physics. 130: 144904. PMID 19368468 DOI: 10.1063/1.3077868  0.617
2009 Hooper JB, Bedrov D, Smith GD. The influence of polymer architecture on the assembly of poly(ethylene oxide) grafted C60 fullerene clusters in aqueous solution: a molecular dynamics simulation study. Physical Chemistry Chemical Physics : Pccp. 11: 2034-45. PMID 19280014 DOI: 10.1039/b818971d  0.327
2009 Borodin O, Smith GD, Kim H. Viscosity of a room temperature ionic liquid: predictions from nonequilibrium and equilibrium molecular dynamics simulations. The Journal of Physical Chemistry. B. 113: 4771-4. PMID 19275203 DOI: 10.1021/jp810016e  0.65
2009 Gomez ED, Panday A, Feng EH, Chen V, Stone GM, Minor AM, Kisielowski C, Downing KH, Borodin O, Smith GD, Balsara NP. Effect of ion distribution on conductivity of block copolymer electrolytes. Nano Letters. 9: 1212-6. PMID 19193125 DOI: 10.1021/Nl900091N  0.645
2009 Borodin O, Smith GD. Quantum chemistry and molecular dynamics simulation study of dimethyl carbonate: ethylene carbonate electrolytes doped with LiPF6. The Journal of Physical Chemistry. B. 113: 1763-76. PMID 19146427 DOI: 10.1021/jp809614h  0.654
2008 Smith GD, Borodin O, Li L, Kim H, Liu Q, Bara JE, Gin DL, Nobel R. A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study. Physical Chemistry Chemical Physics : Pccp. 10: 6301-12. PMID 18936854 DOI: 10.1039/B808303G  0.657
2008 Tian P, Smith GD, Glaser M. Erratum: "Molecular dynamics simulations studies of nanoparticles in an isotropic liquid crystal matrix: Single particle behavior and pairwise interactions" [J. Chem. Phys. 124, 161101 (2006)] and "Molecular dynamics simulations of nanoparticles in dense isotropic nematogens: The role of matrix-induced long-range repulsive interactions" [J. Chem. Phys. 124, 184701 (2006)]. The Journal of Chemical Physics. 128: 159901. PMID 18433288 DOI: 10.1063/1.2900648  0.692
2008 Borodin O, Smith GD, Sewell TD, Bedrov D. Polarizable and nonpolarizable force fields for alkyl nitrates. The Journal of Physical Chemistry. B. 112: 734-42. PMID 18085767 DOI: 10.1021/jp076149f  0.655
2007 Bedrov D, Smith GD, Yoon J. Structure and interactions in micellar solutions: molecular simulations of pluronic L64 aqueous solutions. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 12032-41. PMID 17956133 DOI: 10.1021/la700742z  0.311
2007 Sewell TD, Rasmussen KØ, Bedrov D, Smith GD, Thompson RB. Bidirectional mapping between self-consistent field theory and molecular dynamics: application to immiscible homopolymer blends. The Journal of Chemical Physics. 127: 144901. PMID 17935433 DOI: 10.1063/1.2776261  0.303
2007 Bedrov D, Borodin O, Hanson B, Smith GD. Comment on "On the accuracy of force fields for predicting the physical properties of dimethylnitramine". The Journal of Physical Chemistry. B. 111: 1900-2. PMID 17261062 DOI: 10.1021/jp066662d  0.571
2006 Daoulas KC, Müller M, de Pablo JJ, Nealey PF, Smith GD. Morphology of multi-component polymer systems: single chain in mean field simulation studies. Soft Matter. 2: 573-583. PMID 32680236 DOI: 10.1039/B602610A  0.328
2006 Bedrov D, Ayyagari C, Smith GD. Multiscale Modeling of Poly(ethylene oxide)-Poly(propylene oxide)-Poly(ethylene oxide) Triblock Copolymer Micelles in Aqueous Solution. Journal of Chemical Theory and Computation. 2: 598-606. PMID 26626667 DOI: 10.1021/ct050334k  0.742
2006 Borodin O, Smith GD, Fan P. Molecular dynamics simulations of lithium alkyl carbonates. The Journal of Physical Chemistry. B. 110: 22773-9. PMID 17092027 DOI: 10.1021/jp0639142  0.667
2006 Borodin O, Smith GD, Henderson W. Li+ cation environment, transport, and mechanical properties of the LiTFSI doped N-methyl-N-alkylpyrrolidinium+TFSI- ionic liquids. The Journal of Physical Chemistry. B. 110: 16879-86. PMID 16927976 DOI: 10.1021/Jp061930T  0.667
2006 Borodin O, Smith GD. Structure and dynamics of N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid from molecular dynamics simulations. The Journal of Physical Chemistry. B. 110: 11481-90. PMID 16771423 DOI: 10.1021/jp061593o  0.667
2006 Tian P, Smith GD. Molecular dynamics simulations of nanoparticles in dense isotropic nematogens: the role of matrix-induced long-range repulsive interactions. The Journal of Chemical Physics. 124: 184701. PMID 16709125 DOI: 10.1063/1.2196038  0.669
2006 Tian P, Smith GD, Glaser M. Molecular dynamics simulations studies of nanoparticles in an isotropic liquid crystal matrix: Single particle behavior and pairwise interactions. The Journal of Chemical Physics. 124: 161101. PMID 16674121 DOI: 10.1063/1.2194534  0.664
2006 Borodin O, Smith GD. Development of many-body polarizable force fields for Li-battery applications: 2. LiTFSI-doped Oligoether, polyether, and carbonate-based electrolytes. The Journal of Physical Chemistry. B. 110: 6293-9. PMID 16553447 DOI: 10.1021/jp055080d  0.688
2006 Borodin O, Smith GD. Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents. The Journal of Physical Chemistry. B. 110: 6279-92. PMID 16553446 DOI: 10.1021/jp055079e  0.673
2006 Borodin O, Smith GD. LiTFSI structure and transport in ethylene carbonate from molecular dynamics simulations. The Journal of Physical Chemistry. B. 110: 4971-7. PMID 16526738 DOI: 10.1021/jp056249q  0.652
2005 Ayyagari C, Bedrov D, Smith GD. Equilibrium sampling of self-associating polymer solutions: a parallel selective tempering approach. The Journal of Chemical Physics. 123: 124912. PMID 16392532 DOI: 10.1063/1.1979494  0.724
2005 Li L, Bedrov D, Smith GD. A molecular-dynamics simulation study of solvent-induced repulsion between C60 fullerenes in water. The Journal of Chemical Physics. 123: 204504. PMID 16351278 DOI: 10.1063/1.2121647  0.317
2003 Smith GD, Bedrov D, Borodin O. Structural relaxation and dynamic heterogeneity in a polymer melt at attractive surfaces. Physical Review Letters. 90: 226103. PMID 12857324 DOI: 10.1103/PhysRevLett.90.226103  0.609
2002 Smith GD, Borodin O, Bedrov D. A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solution. Journal of Computational Chemistry. 23: 1480-8. PMID 12370950 DOI: 10.1002/jcc.10166  0.665
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